ID: 46999
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 47000
SMILES:CC1(C)C2C(C=C(C)CC2)c2c(cc(C(C)CCCC)cc2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.472
InChIKey:ALGBEIFZBRRFMI-UHFFFAOYSA-N
ID: 47001
SMILES:C1=C(C)CCC(O)C(C)(C)Oc2c1c(O)cc(CCCCC)c2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.93
InChIKey:RIVGWJUWUPENDK-UHFFFAOYSA-N
ID: 47002
SMILES:OC12C(c3c(O)cc(C)cc3OC1(C)C)CC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -13.398
InChIKey:SLLLHTRTONHXPV-UHFFFAOYSA-N
ID: 47003
SMILES:c1c(C=Cc2c(O)c3c(cc2CCCCC)OC(C)(C)C2CC(C(C)CC=CC(C)(C)OC)CCC3C2=O)cc(O)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.828
CB1 binding score: -11.362
InChIKey:GVGNHEFDOMVRJJ-UHFFFAOYSA-N
ID: 47004
SMILES:C(CCC)c1cc(C2C=C(C)CCC2C(C)C)c(O)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.625
InChIKey:JPHAOGNATSLFGV-UHFFFAOYSA-N
ID: 47005
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)OC1C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.558
InChIKey:UOZPAPFYQWNDDS-UHFFFAOYSA-N
ID: 47006
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2O)OC(=O)C2C=CC(O)C(C)C12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -14.578
InChIKey:WOJFFKZYTWTHMF-UHFFFAOYSA-N
ID: 47007
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.479
InChIKey:LBIQTJYHOQJYJR-UHFFFAOYSA-N
ID: 47008
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 47009
SMILES:CN(C)CCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -15.703
InChIKey:CARFAPYECYVUNM-UHFFFAOYSA-N
ID: 47010
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 47011
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 47012
SMILES:[N+](O)(O)c1c(O)c2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 291.347
CB1 binding score: -16.328
InChIKey:SJRBBWCUSRTEHV-UHFFFAOYSA-N
ID: 47013
SMILES:C(c1c(O)cc2c(c1CC=C(C)C)OC(C)(C)C1CCC(C)C=C12)(ON(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.531
CB1 binding score: -13.583
InChIKey:UZROZRCHQXJBLQ-UHFFFAOYSA-N
ID: 47014
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 47015
SMILES:C12CC3=C4C1(C)Oc1c3c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)C21O4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -13.749
InChIKey:ZZUDGNAZBSLSEA-UHFFFAOYSA-N
ID: 47016
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 47017
SMILES:O(c1c(OC)c(Cl)c2c(c1OC)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.858
CB1 binding score: -16.321
InChIKey:VTFIQSOEJSEKMY-UHFFFAOYSA-N
ID: 47018
SMILES:C(C)Cc1cc(O)c2c(c1)OC1(C)CCC3C(CO)(C)C3C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.874
InChIKey:LPKAYPYGFIUZOQ-UHFFFAOYSA-N
ID: 47019
SMILES:C(CCC)c1ccc(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.107
InChIKey:MIXCUUCNJULULK-UHFFFAOYSA-N